3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H24FN3O4S/c1-28(17-24(30)27-22-10-5-9-21(26)15-22)25(31)19-8-4-11-23(14-19)34(32,33)29-13-12-18-6-2-3-7-20(18)16-29/h2-11,14-15H,12-13,16-17H2,1H3,(H,27,30)